4,4,4-trifluorobut-1-ene

C4H5F3 — CID 10887850

IUPAC4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F
InChIInChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2H,1,3H2
InChIKeyWCNKHTIPPVQEQW-UHFFFAOYSA-N
MW110.08 g/mol
LogP2.12
Rot. Bonds1

About 4,4,4-trifluorobut-1-ene

4,4,4-trifluorobut-1-ene (PubChem CID 10887850) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is 4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name4,4,4-trifluorobut-1-ene
PubChem CID10887850
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F
InChIInChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2H,1,3H2
InChIKeyWCNKHTIPPVQEQW-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
1,1-Difluorobut-1-ene
CID 2782310
1,1-Difluoro-1,3-butadiene
CID 11506444
4-Fluoro-1-butene
CID 20234353
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
1,5-Hexadiene, 1,1,2,3,3-pentafluoro-
CID 10844909
3-Fluoro-1-butene
CID 10952622
3,3-Difluorobut-1-ene
CID 14123435
4,4,5,6,6,6-Hexafluoro-1-hexene
CID 15134947
2,4,4,4-Tetrafluorobut-1-ene
CID 11983797

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobut-1-ene?
The IUPAC name of 4,4,4-trifluorobut-1-ene (CID 10887850) is 4,4,4-trifluorobut-1-ene.
What is the SMILES notation for 4,4,4-trifluorobut-1-ene?
The canonical SMILES for 4,4,4-trifluorobut-1-ene is C=CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobut-1-ene?
The InChIKey is WCNKHTIPPVQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2H,1,3H2.
What are the key properties of 4,4,4-trifluorobut-1-ene?
4,4,4-trifluorobut-1-ene has a molecular weight of 110.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 10887850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).